SCHEMBL7116458

SCHEMBL7116458

N#Cc1cccc(Oc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 3/20 0.39
EPHX2 P34913 1/20 0.38
MMP2 P08253 1/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
USP30 Q70CQ3 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
EZH2 Q15910 1/20 0.36
CTSC P53634 1/20 0.35
MGLL Q99685 1/20 0.35
FAAH O00519 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SCN9A Q15858 4/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7124179 0.86 L3MBTL1 (0.42) P2RX3MMP2MMP7MMP9MMP13
SCHEMBL7122453 0.86 GRM5 (0.42) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7117979 0.86 MMP2 (0.41) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7114294 0.84 MMP2 (0.38) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7123453 0.83 LOXL2 (0.42) MMP2MMP7MMP9MMP13MGLL
SCHEMBL7120572 0.83 EPHX2 (0.49) EPHX2MMP2MMP7MMP9MMP13
SCHEMBL7122577 0.83 MAPK8 (0.40) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7123287 0.82 EPHX2 (0.36) EPHX2MMP2MMP7MMP9MMP13
SCHEMBL7123432 0.82 MMP2 (0.39) P2RX3EPHX2MMP2MMP7MMP9
SCHEMBL7124909 0.82 EPHX2 (0.35) EPHX2MMP2MMP7MMP9MMP13

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-10 US claimed
US-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease CYP7B1, UGT2B7, CYP1B1 P2RX3 941/4885EPHX2 194/4885MMP2 3731/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.